Current Computer-Aided Drug Design, Volume 12 - Number 1


Meet Our Editorial Board Member:

, 12(1): 1

Shahul H. Nilar

DOI: 10.2174/157340991201160317143745


Editorial: Computer-Assisted Approaches as Decision Support Systems in the Overall Strategy of Combating Emerging Diseases: Some Comments Regarding Drug Design, Vaccinomics, and Genomic Surveillance of the Zika Virus

, 12(1): 2 - 4

Subhash C. Basak and Ashesh Nandy

DOI: 10.2174/1573409912999160315115502

Using Deep Learning for Compound Selectivity Prediction

, 12(1): 5 - 14

Ruisheng Zhang, Juan Li, Jingjing Lu, Rongjing Hu, Yongna Yuan and Zhili Zhao

DOI: 10.2174/1573409912666160219113250

Applications of Receptor- and Ligand-based Models in Inverse Docking Experiments: Recognition of Dihydrofolate Reductase Using 7,8-Dialkyl- 1,3-Diaminopyrrolo[3,2-f]Quinazolines

, 12(1): 15 - 28

Sivakumar Prasanth Kumar, Yogesh T. Jasrai and Himanshu A. Pandya

DOI: 10.2174/1573409912666160104130012

1-R-2-([1,2,4]Triazolo[1,5-c]quinazoline-2-ylthio)etanon(ol)s: Synthesis, Bioluminescence Inhibition, Molecular Docking Studies, Antibacterial and Antifungal Activities

, 12(1): 29 - 41

Lyudmyla M. Antypenko, Sergiy I. Kovalenko, Oleksandr V. Karpenko, Andrew M. Katsev, Volodymyr P. Novikov and Natalia S. Fedyunina

DOI: 10.2174/1573409912666160126142236

3D-QSAR Studies on the Biological Activity of Imidazolidinylpiperidinylbenzoic Acids as Chemokine Receptor Antagonists

, 12(1): 42 - 51

Chunqi Hu, Tao Li and Wenting Du

DOI: 10.2174/1573409912666160202120129

Artificial Neural Network Analysis of Pharmacokinetic and Toxicity Properties of Lead Molecules for Dengue Fever, Tuberculosis and Malaria

, 12(1): 52 - 61

Shahul H. Nilar, Suresh B. Lakshminarayana, Ngai Ling Ma, Thomas H. Keller, Francesca Blasco and Paul W. Smith

DOI: 10.2174/1573409912999160112113539

Metabolic Electron Attachment as a Primary Mechanism For Toxicity Potentials of Halocarbons

, 12(1): 62 - 72

Krishnan Balasubramanian and Subhash C. Basak

DOI: 10.2174/1573409912666160120151627

Identification of Novel BACE1 Inhibitors by Combination of Pharmacophore Modeling, Structure-Based Design and In Vitro Assay

, 12(1): 73 - 82

Yuan Ju, Zicheng Li, Yong Deng, Aiping Tong, Liangxue Zhou and Youfu Luo

DOI: 10.2174/1573409912666160222113103

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